APS Logo

Frequency dependence of W made simple using a multi-pole approximation

ORAL

Abstract


In the GW approximation, the screened interaction W is a non-local and dynamical potential that may have a complex structure in its frequency dependence. A full description of such dependence in a large energy range is in many cases prohibitive: for this reason, it is common practice to approximate it using a plasmon pole (PP) model. The PP approach may however fail for inhomogeneous systems, such as interfaces and defects, and also for some bulk materials, including e.g. metals.
In this work we explore a multi-pole approach for getting an effective representation of W. We show that optimal sampling strategies in the complex plane can lead to accuracies comparable with full-frequency methods at much lower costs, and discuss the application of such strategies to relevant prototype systems.

Presenters

  • Dario Leon Valido

    Universit`adi Modena e Reggio Emilia, FIM Dept, University of Modena & Reggio Emilia

Authors

  • Dario Leon Valido

    Universit`adi Modena e Reggio Emilia, FIM Dept, University of Modena & Reggio Emilia

  • Claudia Cardoso

    Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze

  • Daniele Varsano

    Istituto Nanoscienze, Modena, Italy, CNR, CNR nano Modena, Italy, CNR - Istituto Nanoscienze, Modena, Italy, S3 Modena, CNR-NANO, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR)

  • Elisa Molinari

    FIM, University of Modena, Italy, University of Modena & Reggio Emilia, Italy, University of Modena and Reggio Emilia, FIM Dept., Modena, Italy, FIM Dept, University of Modena & Reggio Emilia

  • Andrea Ferretti

    Centro S3, CNR–Istituto Nanoscienze, CNR nano Modena, Italy, S3 Modena, CNR-NANO, Istituto Nanoscienze, Consiglio Nazionale delle Ricerche, CNR-Istituto Nanoscienze, Consiglio Nazionale delle Ricerche (CNR)